[(2S,3S,4S)-2,4-difluoro-2-(methoxymethyl)-4-methyloxolan-3-yl] hypoiodite

C7H11F2IO3 — CID 170246433

IUPAC[(2S,3S,4S)-2,4-difluoro-2-(methoxymethyl)-4-methyloxolan-3-yl] hypoiodite
SMILESCOC[C@@]1(F)OC[C@](C)(F)[C@@H]1OI
InChIInChI=1S/C7H11F2IO3/c1-6(8)3-12-7(9,4-11-2)5(6)13-10/h5H,3-4H2,1-2H3/t5-,6-,7+/m0/s1
InChIKeyDEFZYQIHXDIUKZ-LYFYHCNISA-N
MW308.06 g/mol
LogP1.79
Rot. Bonds3

About [(2S,3S,4S)-2,4-difluoro-2-(methoxymethyl)-4-methyloxolan-3-yl] hypoiodite

[(2S,3S,4S)-2,4-difluoro-2-(methoxymethyl)-4-methyloxolan-3-yl] hypoiodite (PubChem CID 170246433) has the molecular formula C7H11F2IO3 and a molecular weight of 308.06 g/mol. Its IUPAC name is [(2S,3S,4S)-2,4-difluoro-2-(methoxymethyl)-4-methyloxolan-3-yl] hypoiodite.

Molecular Properties

Compound Name[(2S,3S,4S)-2,4-difluoro-2-(methoxymethyl)-4-methyloxolan-3-yl] hypoiodite
PubChem CID170246433
Molecular FormulaC7H11F2IO3
Molecular Weight308.06 g/mol
Exact Mass307.97
IUPAC Name[(2S,3S,4S)-2,4-difluoro-2-(methoxymethyl)-4-methyloxolan-3-yl] hypoiodite
SMILESCOC[C@@]1(F)OC[C@](C)(F)[C@@H]1OI
InChIInChI=1S/C7H11F2IO3/c1-6(8)3-12-7(9,4-11-2)5(6)13-10/h5H,3-4H2,1-2H3/t5-,6-,7+/m0/s1
InChIKeyDEFZYQIHXDIUKZ-LYFYHCNISA-N
XLogP1.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.06
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(3S,3aR,11aR)-3-fluoro-3-methyl-3a,5,6,7,8,9,11,11a-octahydro-2H-furo[3,2-b][1,5]dioxecine
CID 163562912
(2S,4S)-4-fluoro-2-(methoxymethyl)-4-methyloxolane
CID 173671049
CID 176588650
CID 176588650
2-Fluoro-5-(methoxymethyl)-3-methyloxolane
CID 143654852

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4S)-2,4-difluoro-2-(methoxymethyl)-4-methyloxolan-3-yl] hypoiodite?
The IUPAC name of [(2S,3S,4S)-2,4-difluoro-2-(methoxymethyl)-4-methyloxolan-3-yl] hypoiodite (CID 170246433) is [(2S,3S,4S)-2,4-difluoro-2-(methoxymethyl)-4-methyloxolan-3-yl] hypoiodite.
What is the SMILES notation for [(2S,3S,4S)-2,4-difluoro-2-(methoxymethyl)-4-methyloxolan-3-yl] hypoiodite?
The canonical SMILES for [(2S,3S,4S)-2,4-difluoro-2-(methoxymethyl)-4-methyloxolan-3-yl] hypoiodite is COC[C@@]1(F)OC[C@](C)(F)[C@@H]1OI.
What is the InChIKey of [(2S,3S,4S)-2,4-difluoro-2-(methoxymethyl)-4-methyloxolan-3-yl] hypoiodite?
The InChIKey is DEFZYQIHXDIUKZ-LYFYHCNISA-N. The full InChI is InChI=1S/C7H11F2IO3/c1-6(8)3-12-7(9,4-11-2)5(6)13-10/h5H,3-4H2,1-2H3/t5-,6-,7+/m0/s1.
What are the key properties of [(2S,3S,4S)-2,4-difluoro-2-(methoxymethyl)-4-methyloxolan-3-yl] hypoiodite?
[(2S,3S,4S)-2,4-difluoro-2-(methoxymethyl)-4-methyloxolan-3-yl] hypoiodite has a molecular weight of 308.06 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4S)-2,4-difluoro-2-(methoxymethyl)-4-methyloxolan-3-yl] hypoiodite is sourced from PubChem (CID 170246433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).